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Class Ib Phosphatidylinositol 3-Kinase

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A multi-conformational virtual screening approach based on machine learning targeting PI3Kγ.

Molecular diversity 34160714
Nowadays, more and more attention has been attracted to develop selective PI3Kγ inhibitors, but the unique structural features of PI3Kγ protein make it a very big challenge. In the present study, a virtual screening strategy based on machine learning...
Binding Sites Class Ib Phosphatidylinositol 3-Kinase Databases, Pharmaceutical Drug Discovery Ligands Machine Learning Models, Molecular Molecular Conformation Molecular Docking Simulation Molecular Dynamics Simulation Molecular Structure Phosphoinositide-3 Kinase Inhibitors Protein Binding ROC Curve Structure-Activity Relationship
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Chemical analogue based drug design for cancer treatment targeting PI3K: integrating machine learning and molecular modeling.

Molecular diversity 39154146
Cancer is a generic term for a group of disorders defined by uncontrolled cell growth and the potential to invade or spread to other parts of the body. Gene and epigenetic alterations disrupt normal cellular control, leading to abnormal cell prolifer...
Antineoplastic Agents Class Ib Phosphatidylinositol 3-Kinase Drug Design Humans Ligands Machine Learning Models, Molecular Molecular Docking Simulation Molecular Dynamics Simulation Neoplasms Phosphatidylinositol 3-Kinases Phosphoinositide-3 Kinase Inhibitors Protein Binding Protein Kinase Inhibitors
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